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81.
82.
采用分子动力学方法研究了直链烷烃C1—C4在二聚铜-苯-1,3,5-三羧酸酯(Cu-BTC)中的扩散机理.首先计算了4种烷烃的自扩散系数,并进一步通过质心分布图与分子轨迹图详细讨论了主、次孔道中各种类型的扩散路径.研究结果表明,不同烷烃在Cu-BTC中表现出的不同或近似的宏观扩散速率,是由微观上受到不同的扩散路径阻力并偏好不同的扩散路径所造成的.这些信息可提高人们对该类材料的认识,并为材料的实际应用以及新材料设计提供理论指导.
关键词:
分子模拟
二聚铜-苯-1
5-三羧酸酯
烷烃
扩散机理 相似文献
83.
Room-temperature direct-bandgap photoluminescence from strain-compensated Ge/SiGe multiple quantum wells on silicon 下载免费PDF全文
Strain-compensated Ge/Si0.15Ge0.85 multiple quantum wells were grown on an Si0.1>Ge0.9 virtual substrate using ultrahigh vacuum chemical vapor deposition technology on an n+-Si(001) substrate. Photoluminescence measurements were performed at room temperature, and the quantum confinement effect of the direct-bandgap transitions of a Ge quantum well was observed, which is in good agreement with the calculated results. The luminescence mechanism was discussed by recombination rate analysis and the temperature dependence of the luminescence spectrum. 相似文献
84.
Improved crystal quality of GaN film with the in-plane lattice-matched Ino.17Alo.s3N interlayer grown on sapphire substrate using pulsed metal-organic chemical vapor deposition 下载免费PDF全文
We report on an improvement in the crystal quality of GaN film with an Ino.17Alo.83N interlayer grown by pulsed metal-organic chemical vapor deposition, which is in-plane lattice-matched to GaN films. The indium composition of about 17% and the reductions of both screw and edge threading dislocations (TDs) in GaN film with the InA1N interlayer are estimated by high resolution X-ray diffraction. Transmission electron microscopy (TEM) measurements are employed to understand the mechanism of reduction in TD density. Raman and photoluminescence measurements indicate that the InA1N interlayer can improve the crystal quality of GaN film, and verify that there is no additional residual stress induced into the GaN film with InA1N interlayer. Atomic force microscopy measurement shows that the InA1N interlayer brings in a smooth surface morphology of GaN film. All the results show that the insertion of the InA1N interlayer is a convenient method to achieve excellent crystal quality in GaN epitaxy. 相似文献
85.
Abstract The stability of the doped state of conductive polythiophenes under air was investigated by the use of Infrared (IR) and UV-visible (UV) spectroscopies. Poly(3-methyl thiophene) doped with BF3-ethyl ether (BFEE). shows higher stability due to its stereoregularity-chain structure. While the doped polythiophene (PT) degrades easily under the moisture. 相似文献
86.
87.
以牛血清白蛋白(BSA)和葡萄糖为原料,采用光谱技术从分子水平上研究不同浓度尿素(0~7 mol·L-1)对BSA糖基化反应的影响.结果表明:BSA经过尿素处理后,其糖基化产物的自由氨基含量和内源荧光强度均显著下降;同步荧光光谱表明BSA与尿素的结合点更接近于色氨酸(Trp)残基;紫外光谱分析表明经尿素处理后BSA的糖... 相似文献
88.
Measurement-based quantum computation in an optical setup shows great promise towards the implementation oflarge-scale quantum computation. The difficulty of measurement-based quantum computation lies in the preparation ofcluster state. In this paper, we propose the method of generating the large-scale cluster state, which is a platform formeasurement-based quantum computation. In order to achieve more complex quantum circuits, the preparation protocolof N-photon cluster state will be proposed as a generalization of the preparation of four- and five-photon cluster states.Furthermore, our proposal is experimentally feasible. 相似文献
89.
Comparison between photoluminescence spectroscopy and photoreflectance spectroscopy in CuGaSe2 epilayer 下载免费PDF全文
Photoluminescence (PL) spectroscopy and photoreflectance (PR) spectroscopy are very useful techniques for studying the properties of materials. In this paper, the same material of Cu-rich metal-organic vapour phase epitaxy (MOVPE) grown CuGaSe2 layer is investigated in a temperature range from 20 to 300 K to compare these two techniques. Both PL and PR spectra appear red shifted, less intense and broadened. The temperature dependence of interband transitions is studied by using the Manoogian Leclerc equation. The values of the band gap energy at T=0K and the effective phonon temperature are estimated. The temperature dependences of intensities and broadenings of PL and PR spectral lines are also analysed. Based on the results of the comparison, the features and applications of the PL and PR can be shown in detail. 相似文献
90.
基于氧化层空穴俘获和质子诱导界面陷阱电荷形成物理机制的分析,分别建立了MOS结构电离辐射诱导氧化层陷阱电荷密度、界面陷阱电荷密度与辐射剂量相关性的物理模型.由模型可以得到,在低剂量辐照条件下辐射诱导产生的两种陷阱电荷密度与辐射剂量成线性关系,在中到高辐射剂量下诱导陷阱电荷密度趋于饱和,模型可以很好地描述这两种陷阱电荷与辐射剂量之间的关系.最后讨论了低剂量辐照下,两种辐射诱导陷阱电荷密度之间的关系,认为低辐射剂量下两者存在线性关系,并用实验验证了理论模型的正确性.该模型为辐射环境下MOS器件辐射损伤提供了更
关键词:
MOS结构
辐射
界面陷阱
氧化层陷阱 相似文献